methyl (E)-3-(1-oxidanylidene-3,4-dihydroisochromen-3-yl)prop-2-enoate

Systemtic Name: methyl (E)-3-(1-oxidanylidene-3,4-dihydroisochromen-3-yl)prop-2-enoate Openeye Name: methyl (E)-3-(1-oxoisochroman-3-yl)prop-2-enoate CAS Name: (E)-3-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(1-oxo-3,4-dihydroisochromen-3-yl)prop-2-enoate Traditional Name: (E)-3-(1-ketoisochroman-3-yl)acrylic acid methyl ester Formula: C13H12O4 MolecularWeight: 232.23198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1CC2=CC=CC=C2C(=O)O1

Isomeric SMILES

COC(=O)/C=C/C1CC2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C13H12O4/c1-16-12(14)7-6-10-8-9-4-2-3-5-11(9)13(15)17-10/h2-7,10H,8H2,1H3/b7-6+